One-Pot Synthesis, Characterisation and Kinetic Stability of Novel Side-Bridged Pentaazamacrocylic Copper(II) Complexes
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Article title: One-Pot Synthesis, Characterisation and Kinetic Stability of Novel Side-Bridged Pentaazamacrocylic Copper(II) Complexes Authors: Helen M. Betts, Antoine Buchard, Sofia I. Pascu, Paul D. Bonnitcha, and Jonathan R. Dilwortha DFT study: Computed free enthalpies of formation of complexes 7-Benzyl-1,5,7,9,13-penta-aza-(1,13-ethano)-cyclopentadecane copper(II) dichloride and copper(II) cyclam dichloride Protocol: uM06/6-31++G(d,p)/SCRF=(cpcm,solvent=methanol)/temperature= (337.85) Content: Gaussian09 rev A.02 output files
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2014-01-29
